4-(3-fluoro-2-hydroxypropyl)thiolan-3-one

C7H11FO2S — CID 130878116

IUPAC4-(3-fluoro-2-hydroxypropyl)thiolan-3-one
SMILESO=C1CSCC1CC(O)CF
InChIInChI=1S/C7H11FO2S/c8-2-6(9)1-5-3-11-4-7(5)10/h5-6,9H,1-4H2
InChIKeyWSDAFJXIYPXDKS-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.64
Rot. Bonds3

About 4-(3-fluoro-2-hydroxypropyl)thiolan-3-one

4-(3-fluoro-2-hydroxypropyl)thiolan-3-one (PubChem CID 130878116) has the molecular formula C7H11FO2S and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-(3-fluoro-2-hydroxypropyl)thiolan-3-one.

Molecular Properties

Compound Name4-(3-fluoro-2-hydroxypropyl)thiolan-3-one
PubChem CID130878116
Molecular FormulaC7H11FO2S
Molecular Weight178.23 g/mol
Exact Mass178.05
IUPAC Name4-(3-fluoro-2-hydroxypropyl)thiolan-3-one
SMILESO=C1CSCC1CC(O)CF
InChIInChI=1S/C7H11FO2S/c8-2-6(9)1-5-3-11-4-7(5)10/h5-6,9H,1-4H2
InChIKeyWSDAFJXIYPXDKS-UHFFFAOYSA-N
XLogP0.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-hydroxypropyl)thiolan-3-one?
The IUPAC name of 4-(3-fluoro-2-hydroxypropyl)thiolan-3-one (CID 130878116) is 4-(3-fluoro-2-hydroxypropyl)thiolan-3-one.
What is the SMILES notation for 4-(3-fluoro-2-hydroxypropyl)thiolan-3-one?
The canonical SMILES for 4-(3-fluoro-2-hydroxypropyl)thiolan-3-one is O=C1CSCC1CC(O)CF.
What is the InChIKey of 4-(3-fluoro-2-hydroxypropyl)thiolan-3-one?
The InChIKey is WSDAFJXIYPXDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2S/c8-2-6(9)1-5-3-11-4-7(5)10/h5-6,9H,1-4H2.
What are the key properties of 4-(3-fluoro-2-hydroxypropyl)thiolan-3-one?
4-(3-fluoro-2-hydroxypropyl)thiolan-3-one has a molecular weight of 178.23 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-hydroxypropyl)thiolan-3-one is sourced from PubChem (CID 130878116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).